REMARK Name = BDB000459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.760 -1.532 -1.178 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -5.830 0.281 0.510 0.00 0.00 +0.030 C ATOM 3 C LIG 1 -4.522 -0.333 0.084 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -3.546 0.646 -0.126 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.269 0.312 -0.556 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -1.966 -1.036 -0.761 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -2.950 -2.017 -0.540 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -4.096 2.014 0.130 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -4.237 -1.672 -0.119 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -5.347 1.682 0.957 0.00 0.00 +0.013 C BRANCH 2 11 ATOM 11 C LIG 1 -6.828 0.327 -0.648 0.00 0.00 +0.128 C BRANCH 11 13 ATOM 12 O LIG 1 -8.546 1.030 0.944 0.00 0.00 -0.251 OA ATOM 13 C LIG 1 -8.184 0.789 -0.195 0.00 0.00 +0.305 C BRANCH 13 14 ATOM 14 O LIG 1 -9.042 0.918 -1.226 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 -9.879 1.210 -0.808 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 16 ATOM 16 C LIG 1 0.289 -0.589 -1.399 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 1.540 -1.350 -1.837 0.00 0.00 +0.082 C BRANCH 17 18 ATOM 18 C LIG 1 2.097 -2.240 -0.726 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 2.498 -1.471 0.408 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 3.756 -0.942 0.448 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.055 -0.258 1.628 0.00 0.00 +0.048 A ATOM 22 C LIG 1 5.304 0.342 1.813 0.00 0.00 +0.031 A ATOM 23 C LIG 1 6.275 0.263 0.807 0.00 0.00 +0.067 A ATOM 24 C LIG 1 5.978 -0.420 -0.379 0.00 0.00 +0.031 A ATOM 25 C LIG 1 4.722 -1.018 -0.554 0.00 0.00 +0.048 A BRANCH 23 26 ATOM 26 N LIG 1 7.539 0.876 1.008 0.00 0.00 -0.220 N ATOM 27 N LIG 1 7.841 1.548 2.148 0.00 0.00 -0.154 NA ATOM 28 C LIG 1 9.090 1.950 1.919 0.00 0.00 +0.245 A ATOM 29 N LIG 1 9.612 1.588 0.715 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 8.625 0.918 0.166 0.00 0.00 +0.225 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10